KEGG   COMPOUND: C16972Help
Entry
C16972                      Compound                               

Name
Hirsutine
Formula
C22H28N2O3
Exact mass
368.21
Mol weight
368.4693
Structure
Mol fileKCF fileDB search
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK12 Flavonoids
   PK1201 Anthocyanidins
    C16972  Hirsutine
BRITE hierarchy
Other DBs
CAS: 7729-23-9
PubChem: 96023458
ChEBI: 70074
ChEMBL: CHEMBL327134
KNApSAcK: C00025175
NIKKAJI: J146.159A
LinkDB All DBs
KCF data Show

ATOM        27
            1   C8x C    21.5287  -14.9944
            2   C8x C    21.5287  -16.3618
            3   C8x C    22.7129  -17.0455
            4   C8y C    23.8972  -16.3618
            5   C8y C    23.8972  -14.9944
            6   C8x C    22.7129  -14.3107
            7   N4x N    25.0814  -17.0455
            8   C8y C    26.2655  -16.3618
            9   C8y C    26.2655  -14.9944
            10  C1y C    27.4498  -17.0455
            11  N1y N    28.6340  -16.3618
            12  C1x C    28.6340  -14.9944
            13  C1x C    27.4498  -14.3107
            14  C1x C    27.4498  -18.4129
            15  C1y C    28.6340  -19.0967
            16  C1y C    29.8182  -18.4129
            17  C1x C    29.8182  -17.0455
            18  C2c C    28.6340  -20.4641
            19  C1b C    31.0025  -19.0967
            20  C1a C    32.1867  -18.4129
            21  C2b C    29.8182  -21.1478
            22  C7a C    27.4498  -21.1478
            23  O6a O    26.2861  -20.4757
            24  O7a O    27.4498  -22.5152
            25  C1a C    26.2655  -23.1989
            26  O2a O    31.0354  -20.4451
            27  C1a C    32.2265  -21.1330
BOND        30
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 2
            10    5   9 1
            11    8  10 1
            12   10  11 1
            13   11  12 1
            14   12  13 1
            15    9  13 1
            16   10  14 1
            17   14  15 1
            18   15  16 1
            19   16  17 1
            20   11  17 1
            21   15  18 1 #Up
            22   16  19 1 #Down
            23   19  20 1
            24   18  21 2
            25   18  22 1
            26   22  23 2
            27   22  24 1
            28   24  25 1
            29   21  26 1
            30   26  27 1

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